ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008489
RECORD_TITLE: PENTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL BENZOATE
CH$NAME: AMYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051849

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05i0-8900000000-90f57fb3ba7dd293673c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 10.14 101
  29 9.2 92
  39 7.21 72
  41 11.85 119
  42 12.88 129
  43 6.26 63
  50 5.16 52
  51 19.79 198
  52 1.18 12
  55 11.38 114
  69 2.18 22
  70 21.38 214
  71 1.16 12
  74 1.02 10
  75 1.21 12
  76 2.54 25
  77 54.64 546
  78 4.4 44
  79 6.83 68
  105 99.99 999
  106 8.24 82
  122 16.79 168
  123 73.66 737
  124 5.7 57
  192 1.23 12
//